{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.361543 0.136147 ] [ 0.5 0.638457 0.136147 ] [ 0 0.861543 0.863853 ] [ 0 0.138457 0.863853 ] [ 0.361543 0.5 0.863853 ] [ 0.638457 0.5 0.863853 ] [ 0.861543 0 0.136147 ] [ 0.138457 0 0.136147 ] [ 0.5 0 0.450783 ] [ 0 0.5 0.549217 ] [ 0.5 0.5 0 ] [ 0 0 0 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "I" "I" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.16145704 "source-unit" "angstrom" } "c" { "source-value" 4.40484564 "source-unit" "angstrom" } }